| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056421
BDB056421
|
BDBM50443503
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)Nc4ccncc4)cc3)c2[nH]1
|
C23H18ClN7O2 459.897000 |
ZBCLLHNIOJFNHN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443503; PubChem:CID72735063
|
Local ready
Direct docking supported
|
|
E3L056422
BDB056422
|
BDBM50443504
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Nc3ccc(C(=O)Nc4ccccc4)cc3)c2[nH]1
|
C24H20ClN7O 457.925000 |
KRQUQAQHMVDXTH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443504; PubChem:CID72734885
|
Local ready
Direct docking supported
|
|
E3L056423
BDB056423
|
BDBM50443505
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)N4CCCC4)cc3)c2[nH]1
|
C22H21ClN6O2 436.903000 |
OBDQVCZZFFVZBL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443505; PubChem:CID72735066
|
Local ready
Direct docking supported
|
|
E3L056424
BDB056424
|
BDBM50443506
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NCc4ccccc4)cc3)c2[nH]1
|
C25H21ClN6O2 472.936000 |
OUNGNTVUXRGCOK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443506; PubChem:CID72735065
|
Local ready
Direct docking supported
|
|
E3L056425
BDB056425
|
BDBM50443507
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N(C)Cc3ccccc3)c2[nH]1
|
C19H19ClN6 366.856000 |
JMFBKXJSFCPIKB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443507; PubChem:CID72734884
|
Local ready
Direct docking supported
|
|
E3L056426
BDB056426
|
BDBM50443508
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)c2[nH]1
|
C19H26ClN7O2S 451.984000 |
BKIGTXQKUBIVPY-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443508; PubChem:CID72734883
|
Local ready
Direct docking supported
|
|
E3L056427
BDB056427
|
BDBM50443509
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@@H](CNS(C)(=O)=O)C3)c2[nH]1
|
C18H24ClN7O2S 437.957000 |
PASPLONSFSXGKA-LBPRGKRZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443509; PubChem:CID72734882
|
Local ready
Direct docking supported
|
|
E3L056428
BDB056428
|
BDBM50443510
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@H](CNS(C)(=O)=O)C3)c2[nH]1
|
C18H24ClN7O2S 437.957000 |
PASPLONSFSXGKA-GFCCVEGCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443510; PubChem:CID72737598
|
Local ready
Direct docking supported
|
|
E3L056429
BDB056429
|
BDBM50443511
O=C(Nc1ccccc1)c1ccc(Oc2c(Cl)cnc3nc[nH]c23)cc1
|
C19H13ClN4O2 364.792000 |
YIHBMYWIHTUMMS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443511; PubChem:CID72737417
|
Local ready
Direct docking supported
|
|
E3L056430
BDB056430
|
BDBM50443512
Cc1nn(C)cc1-c1nc2nccc(Oc3ccc(C(=O)Nc4ccccc4)cc3)c2[nH]1
|
C24H20N6O2 424.464000 |
GHUCLWIVBWSXOR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443512; PubChem:CID72737416
|
Local ready
Direct docking supported
|
|
E3L056431
BDB056431
|
BDBM50443637
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1
|
C22H26N4O4 410.474000 |
CQNULDWOIXHYFM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50443637
|
Local ready
Direct docking supported
|
|
E3L056432
BDB056432
|
BDBM50443638
NCCOCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)cc1
|
C25H30N4O7 498.536000 |
ZBYBDKHFLSHGBP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50443638; PubChem:CID168313936
|
Local ready
Direct docking supported
|
|
E3L056433
BDB056433
|
BDBM50443639
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)cc1
|
C23H26N4O6 454.483000 |
LZUJDIWVWSRLRQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50443639
|
Local ready
Direct docking supported
|
|
E3L056434
BDB056434
|
Ethanol, 2-[2-(2-aminoethoxy)ethoxy]-
NCCOCCOCCO
|
C6H15NO3 149.190000 |
ASDQMECUMYIVBG-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50443640; PubChem:CID95875
|
Local ready
Direct docking supported
|
|
E3L056435
BDB056435
|
BDBM50443641
O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1
|
C16H13N3O 263.300000 |
PBNKEANYJCQEQI-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50443641
|
Local ready
Direct docking supported
|
|
E3L056436
BDB056436
|
BDBM50443806
CC[C@H](NC)C(=O)N[C@H](C(=O)N1C[C@@H]2Cc3cc(Cl)cc(Cl)c3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C34H43Cl2N5O4 656.655000 |
KSALHYXGSMEPIV-MYEJIDBFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50443806
|
Local ready
Direct docking supported
|
|
E3L056437
BDB056437
|
BDBM50443807
CC[C@H](NC)C(=O)N[C@H](C(=O)N1C[C@@H]2Cc3cc(Cl)ccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C34H44ClN5O4 622.210000 |
XDBOAVJEQWZFNY-HDFVOGAFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50443807; PubChem:CID60198300
|
Local ready
Direct docking supported
|
|
E3L056438
BDB056438
|
BDBM50443808
CC[C@H](NC)C(=O)N[C@H](C(=O)N1C[C@@H]2Cc3cc(C#N)ccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C35H44N6O4 612.775000 |
XIVQNOQUXQCLEI-NSKQSPGJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50443808
|
Local ready
Direct docking supported
|
|
E3L056439
BDB056439
|
BDBM50443809
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C29H43N5O4 525.694000 |
GIAUJOMDUOPYLU-ZCQCUXIGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50443809
|
Local ready
Direct docking supported
|
|
E3L056440
BDB056440
|
BDBM50443810
CC[C@H](NC)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C30H45N5O4 539.721000 |
MPXBKLQSQUXEDB-DPURIWRLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50443810; PubChem:CID66972432
|
Local ready
Direct docking supported
|